Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC(NC(=O)C1=CC2=CC(Cl)=CC(Cl)=C2OC1=O)C1=CC=C(OC)C=C1

InChIKey

InChIKey=BCEPAPHWYHRFPP-UHFFFAOYSA-N

Formula

C22H19Cl2NO6

Mass

464.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Beta amino acid or derivatives - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Pyranone - Fatty acid ester - Alkyl aryl ether - Pyran - Fatty acyl - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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